Geometry & MOs

Info

ID:	121748
PubChem CID:	50780046
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	5.57
IP(EA), eV:	-8.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NC4=C(C=C(C(=C4)C)C)N=C3OC)C

DOS

IR

Vibrations